3-(3-Trifluoromethylphenyl)propanoic acid → (2-{-3-(trans-4-Methyl-cyclohexyl)-3-[3-(3-trifluoromethyl-phenyl)-propyl]-ureido}-thiazol-5-ylsulfanyl)-acetic acid

HRID 102003

반응식

HRID 102003 반응식
[CH2:47]([O:48][C:49](=[O:50])[CH2:51][S:52][c:53]1[s:54][c:55]([NH2:56])[n:57][cH:58]1)[CH3:59].[Cl:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][CH2:10][N:11]([C:12]([NH:13][c:14]2[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:5][cH:6][cH:7]1.[F:32][C:33]([c:34]1[cH:35][c:36]([CH2:37][CH2:38][C:39]([OH:40])=[O:41])[cH:42][cH:43][cH:44]1)([F:45])[F:46]>>[c:2]1([C:33]([F:32])([F:45])[F:46])[cH:3][c:4]([CH2:8][CH2:9][CH2:10][N:11]([C:12]([NH:13][c:14]2[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:5][cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 27776833-(3-Trifluoromethylphenyl)propanoic acidHCID 21455623Ethyl 2-(2-aminothiazol-5-ylthio)acetateHCID 24991170{2-[3-[3-(3-Chloro-phenyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

생성물 1

HCID 24991168(2-{-3-(trans-4-Methyl-cyclohexyl)-3-[3-(3-trifluoromethyl-phenyl)-propyl]-ureido}-thiazol-5-ylsulfanyl)-acetic acid

출처 및 근거

ORD 기록
ord-4be6d3f5c10b414e815965eab34deae7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…